6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine

C23H22N4O2 — CID 10872751

IUPAC6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4ccccn4)c3)c2cc1OCC
InChIInChI=1S/C23H22N4O2/c1-3-28-21-13-18-20(14-22(21)29-4-2)25-15-26-23(18)27-17-9-7-8-16(12-17)19-10-5-6-11-24-19/h5-15H,3-4H2,1-2H3,(H,25,26,27)
InChIKeyREALMOQLMJDTGU-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.23
Rot. Bonds7

About 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine

6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine (PubChem CID 10872751) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine
PubChem CID10872751
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4ccccn4)c3)c2cc1OCC
InChIInChI=1S/C23H22N4O2/c1-3-28-21-13-18-20(14-22(21)29-4-2)25-15-26-23(18)27-17-9-7-8-16(12-17)19-10-5-6-11-24-19/h5-15H,3-4H2,1-2H3,(H,25,26,27)
InChIKeyREALMOQLMJDTGU-UHFFFAOYSA-N
XLogP5.23
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Sapitinib
CID 11488320
Tandutinib
CID 3038522
Icotinib
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PD-153035
CID 4705
Cudc-101
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Taprizosin
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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine (CID 10872751) is 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4ccccn4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine?
The InChIKey is REALMOQLMJDTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-3-28-21-13-18-20(14-22(21)29-4-2)25-15-26-23(18)27-17-9-7-8-16(12-17)19-10-5-6-11-24-19/h5-15H,3-4H2,1-2H3,(H,25,26,27).
What are the key properties of 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine?
6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine has a molecular weight of 386.46 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-(3-pyridin-2-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 10872751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).